Geometry & MOs

Info

ID:	435939
PubChem CID:	135192909
Reduced:	N3C27H41 (1)
Stoich.:	A3B27C41 (1)
Weight, g/mol:	339.267448
ΔH_f, kcal/mol:	36.42
Dipole, Da:	3.83
IP(EA), eV:	-7.49(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,15,17-triazapentacyclo[14.9.0.02,8.09,14.018,25]pentacosa-9(14),15,18(25)-triene

Drug info:

PubChemData

Smile

C1CCCC2=C(CCC1)N=C3NC4=C(N3C5=C2CCCCCCC5)CCCCCC4

DOS

IR

Vibrations